126240-13-9 (麦角甾-1,4-二烯-3-酮,7-羟基-22,24,25-[(1S)-丙基三(氧基)]-,(7a,22R)-(9CI),Ergosta-1,4-dien-3-one,7-hydroxy-22,24,25-[(1S)-propylidynetris(oxy)]-, (7a,22R)- (9CI))

CAS号:
126240-13-9
中文名称:
麦角甾-1,4-二烯-3-酮,7-羟基-22,24,25-[(1S)-丙基三(氧基)]-,(7a,22R)-(9CI)
英文名称:
Ergosta-1,4-dien-3-one,7-hydroxy-22,24,25-[(1S)-propylidynetris(oxy)]-, (7a,22R)- (9CI)
分子式:
C31H46O5
分子量:
498.693950176239
植物源:

麦角甾-1,4-二烯-3-酮,7-羟基-22,24,25-[(1S)-丙基三(氧基)]-,(7a,22R)-(9CI)(126240-13-9)名称与标识符

名称

英文别名:
Ergosta-1,4-dien-3-one,7-hydroxy-22,24,25-[(1S)-propylidynetris(oxy)]-, (7a,22R)- (9CI);(+)-Petuniasterone M;2,7,8-Trioxabicyclo[3.2.1]octane,ergosta-1,4-dien-3-one deriv.;Ergosta-1,4-dien-3-one,7-hydroxy-22,24,25-[propylidynetris(oxy)]-, [7a,22R(S)]-;Petuniasterone M;Ergosta-1,4-dien-3-one, 7-hydroxy-22,24,25-[(1S)-propylidynetris(oxy)]-, (7α,22R)- (9CI);

标识符

InChIKey:
VHCYZWIHUJLEIL-UHFFFAOYSA-N
Inchi:
1S/C31H46O5/c1-8-31-34-25(17-30(7,36-31)27(3,4)35-31)18(2)21-9-10-22-26-23(12-14-29(21,22)6)28(5)13-11-20(32)15-19(28)16-24(26)33/h11,13,15,18,21-26,33H,8-10,12,14,16-17H2,1-7H3
SMILES:
CCC12OC(CC(C(C3C4(C(C5C(CC4)C4(C(=CC(C=C4)=O)CC5O)C)CC3)C)C)O1)(C)C(C)(C)O2

麦角甾-1,4-二烯-3-酮,7-羟基-22,24,25-[(1S)-丙基三(氧基)]-,(7a,22R)-(9CI)(126240-13-9)物化性质

实验特性

  • PSA : 52.54
  • 沸点 : 580.0±50.0 °C(Predicted)
  • 酸度系数(pKa) : 14.39±0.70(Predicted)
  • 密度 : 1.16±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 272.08309